Glycoside
GD022203
Name:
[4-(acetyloxy)-6-{[3-(acetyloxy)-2-[2-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-4-hydroxyphenoxy]-5-hydroxy-6-methyloxan-4-yl]oxy}-3,5-dihydroxyoxan-2-yl]methyl acetateFormula:
C33H38O18Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](Oc3ccc(O)cc3[C@@H]3CC(=O)c4c(O)cc(O)cc4O3)O[C@@H](C)[C@H]2O)[C@H](O)[C@H](OC(C)=O)[C@H]1OAglycone:
COC(C)=O.O=C1CC(c2cc(O)ccc2O)Oc2cc(O)cc(O)c21Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(OC2C(O)C(C)OC(O)C2OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 722.65 | Num_heavy_atoms: | 51 |
| TPSA: | 263.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD08896
Formula: C15H12O6
Smiles:
O=C1CC(c2cc(O)ccc2O)Oc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
